2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide

C19H16F3NO3 — CID 134010405

IUPAC2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(OCC(F)(F)F)cc3)coc2c1
InChIInChI=1S/C19H16F3NO3/c1-12-2-7-16-13(10-25-17(16)8-12)9-18(24)23-14-3-5-15(6-4-14)26-11-19(20,21)22/h2-8,10H,9,11H2,1H3,(H,23,24)
InChIKeyKDPSXJOYRRXCRS-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.86
Rot. Bonds5

About 2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide

2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 134010405) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID134010405
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCc1ccc2c(CC(=O)Nc3ccc(OCC(F)(F)F)cc3)coc2c1
InChIInChI=1S/C19H16F3NO3/c1-12-2-7-16-13(10-25-17(16)8-12)9-18(24)23-14-3-5-15(6-4-14)26-11-19(20,21)22/h2-8,10H,9,11H2,1H3,(H,23,24)
InChIKeyKDPSXJOYRRXCRS-UHFFFAOYSA-N
XLogP4.86
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 7926545
2-[4-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]phenyl]acetamide
CID 31856404
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525277
N-[4-(difluoromethylsulfanyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 7944860
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525331
N'-[2-(4-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18158747
N-(3,5-dichlorophenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3968592
2-(4-acetamidophenyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134010386
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 4875706
4-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46803550
2-(5-methyl-1-benzofuran-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 18872348
2-(6-methyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 6460690

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 134010405) is 2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is Cc1ccc2c(CC(=O)Nc3ccc(OCC(F)(F)F)cc3)coc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is KDPSXJOYRRXCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c1-12-2-7-16-13(10-25-17(16)8-12)9-18(24)23-14-3-5-15(6-4-14)26-11-19(20,21)22/h2-8,10H,9,11H2,1H3,(H,23,24).
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 363.34 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 134010405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).